N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine

C17H28N2O2 — CID 28718160

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCc2cccc(OC)c2OC)CC1
InChIInChI=1S/C17H28N2O2/c1-4-10-19-11-8-15(9-12-19)18-13-14-6-5-7-16(20-2)17(14)21-3/h5-7,15,18H,4,8-13H2,1-3H3
InChIKeyZYFMTXOHJPNCSU-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.67
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine

N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine (PubChem CID 28718160) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
PubChem CID28718160
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCc2cccc(OC)c2OC)CC1
InChIInChI=1S/C17H28N2O2/c1-4-10-19-11-8-15(9-12-19)18-13-14-6-5-7-16(20-2)17(14)21-3/h5-7,15,18H,4,8-13H2,1-3H3
InChIKeyZYFMTXOHJPNCSU-UHFFFAOYSA-N
XLogP2.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 47052476
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-[(2,3-dimethoxyphenyl)methyl]thian-4-amine
CID 115584763
N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718169
1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 113281872
1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine
CID 28718379
N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728549
4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220624
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081816
1-hexyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine
CID 44536497

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine (CID 28718160) is N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine is CCCN1CCC(NCc2cccc(OC)c2OC)CC1.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine?
The InChIKey is ZYFMTXOHJPNCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-10-19-11-8-15(9-12-19)18-13-14-6-5-7-16(20-2)17(14)21-3/h5-7,15,18H,4,8-13H2,1-3H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine?
N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine has a molecular weight of 292.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 28718160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).